SCHEMBL6558468

SCHEMBL6558468

CCCCOc1ccc(OCCCC)c(OC(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
PTGS2 P35354 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL178904 0.88 KDM4E (0.51) KDM4ERAB9ANPC1LMNAPKM
SCHEMBL178917 0.86 KDM4E (0.53) KDM4ERAB9ANPC1LMNAPKM
SCHEMBL1573623 0.82 LTA4H (0.48) RAB9ANPC1TSHRALDH1A1GAA
SCHEMBL29657323 0.82 LTA4H (0.48) RAB9ANPC1TSHRALDH1A1GAA
SCHEMBL21365817 0.82 THRA (0.53) TSHRTP53
SCHEMBL19484788 0.82 MAPT (0.43) RAB9ANPC1LMNATSHRTP53
SCHEMBL27645083 0.81 PTGS2 (0.59) KDM4EPTGS2LMNATSHRALDH1A1
SCHEMBL26480965 0.81 MGLL (0.52) KDM4ERAB9ANPC1PKMTSHR
SCHEMBL15556821 0.81 ALOX15 (0.53) HTTTSHRTP53ALDH1A1
SCHEMBL18066371 0.81 PTPN1 (0.51) KDM4ELMNATSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816914-B1 Diazonium salt for thermosensitive recording medium OKI ELECTRIC IND CO LTD (JP) 2004-03-17 EP disclosed
US-5935756-A Diazonium salt for thermosensitive recording medium OKI ELECTRIC INDUSTRY CO., LTD. (JP) 1999-08-10 US disclosed
EP-0816914-A2 Diazonium salt for thermosensitive recording medium Oki Electric Industry Co., Ltd. (JP) 1998-01-07 EP disclosed